MMs01318059 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 72 0 0 1 0 0 0 0 0999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3307 -2.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7786 -2.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3127 -4.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -0.2861 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0495 1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0969 -1.3794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7812 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2793 0.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0931 -1.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4088 -2.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1626 -3.2593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -2.7182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 -1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4045 -3.6593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3653 -4.2593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 -3.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 -4.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 -5.5414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3706 -3.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0006 -1.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1686 -2.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9377 -3.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5387 -4.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 -4.8593 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0468 -3.6912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1647 -6.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2739 -5.8003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1991 -7.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6008 -7.8325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5419 -6.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7218 -5.4085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3994 -4.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8972 -3.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7173 -5.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0396 -6.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6561 -1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0048 0.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6561 1.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8912 1.4753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 2.3202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2079 0.8484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1302 0.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8268 1.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2916 -1.1701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0598 -3.5727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3632 -3.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3474 -4.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9879 -4.9567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9888 -6.3271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3592 -5.3262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 -1.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1853 -0.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2879 -2.0033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3539 -5.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0134 -7.1137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8914 -8.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0587 -8.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6089 -8.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7433 -3.0655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4393 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9155 -5.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6957 -7.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 12 13 2 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 59 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 60 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 37 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 35 36 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 37 1 0 0 0 0 36 41 2 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 38 65 1 0 0 0 0 39 40 2 0 0 0 0 39 66 1 0 0 0 0 40 41 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 M END